Glycoside
GD150752
Name:
2-[4-({6-[({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)phenyl]-5,7-dihydroxy-4H-chromen-4-oneFormula:
C33H40O18Smiles:
CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4ccc(-c5cc(=O)c6c(O)cc(O)cc6o5)cc4)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 724.67 | Num_heavy_atoms: | 51 |
| TPSA: | 287.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
